منابع مشابه
Superhalogens beget superhalogens: a case study of (BO2)n oligomers.
Superhalogens belong to a class of molecules that not only mimic the chemistry of halogen atoms but also possess electron affinities that are much larger than that of chlorine, the element with the highest electron affinity in the periodic table. Using BO2 as an example and the synergy between density functional theory-based calculations and photoelectron spectroscopy experiments we demonstrate...
متن کاملTuning electronic and magnetic properties of silicene with magnetic superhalogens.
Due to its compatibility with the well-developed Si-based semiconductor industry, silicene has attracted considerable attention. Using density functional theory we show for the first time that the recently synthesized superhalogen MnCl3 can be used to tune the electronic and magnetic properties of silicene, from semi-metallic to semiconducting with a wide range of band gaps, as well as from non...
متن کاملCorrigendum: Current State of Knowledge in Microbial Degradation of Polycyclic Aromatic Hydrocarbons (PAHs): A Review
[This corrects the article on p. 1369 in vol. 7, PMID: 27630626.].
متن کاملIs the regulation of the electronic properties of organic molecules by polynuclear superhalogens more effective than that by mononuclear superhalogens? A high-level ab initio case study.
The regulation of the electronic properties of organic molecules induced by polynuclear superhalogens is theoretically explored here for sixteen composite structures. It is clearly indicated by the higher vertical electron detachment energy (VDE) that polynuclear superhalogens are more effective in regulating the electronic properties than mononuclear structures. However, this enhanced regulati...
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ژورنال
عنوان ژورنال: Chemistry - A European Journal
سال: 2014
ISSN: 0947-6539
DOI: 10.1002/chem.201400437